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CAS 4430-47-1

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5-(Isothiocyanatomethyl)-1,3-benzodioxole

Description:
5-(Isothiocyanatomethyl)-1,3-benzodioxole, with the CAS number 4430-47-1, is a chemical compound characterized by its unique structure that includes a benzodioxole moiety and an isothiocyanate functional group. This compound typically exhibits properties associated with both aromatic and heterocyclic compounds, contributing to its potential reactivity and biological activity. The presence of the isothiocyanate group suggests that it may participate in nucleophilic reactions and could exhibit antimicrobial or anticancer properties, as many isothiocyanates are known for their biological activities. The benzodioxole structure may also impart stability and influence solubility in various solvents. In terms of physical properties, it may be a solid or liquid at room temperature, depending on its specific formulation and purity. Overall, 5-(Isothiocyanatomethyl)-1,3-benzodioxole is of interest in both synthetic chemistry and pharmacology, warranting further investigation into its applications and effects.
Formula:C9H7NO2S
InChI:InChI=1S/C9H7NO2S/c13-5-10-4-7-1-2-8-9(3-7)12-6-11-8/h1-3H,4,6H2
InChI key:InChIKey=PUJWRDBPAFJUJW-UHFFFAOYSA-N
SMILES:C(N=C=S)C=1C=C2C(=CC1)OCO2
Synonyms:
  • 1,3-Benzodioxol-5-ylmethyl isothiocyanate
  • 1,3-Benzodioxole, 5-(isothiocyanatomethyl)-
  • 1-(Isothiocyanatomethyl)-3,4-methylenedioxybenzene
  • 3,4-Methylenedioxybenzyl isothiocyanate
  • 5-(Isothiocyanatomethyl)benzo[d][1,3]dioxole
  • 5-Isothiocyanatomethyl-1,3-benzodioxole
  • Isothiocyanic acid, piperonyl ester
  • Piperonyl isothiocyanate
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